ChemSpider 2D Image | 4-Butyl-N-(2-{(4-fluorobenzyl)[(4-oxo-4H-chromen-3-yl)methyl]amino}-2-oxoethyl)-N-(2-methoxyethyl)benzamide | C33H35FN2O5

4-Butyl-N-(2-{(4-fluorobenzyl)[(4-oxo-4H-chromen-3-yl)methyl]amino}-2-oxoethyl)-N-(2-methoxyethyl)benzamide

  • Molecular FormulaC33H35FN2O5
  • Average mass558.640 Da
  • Monoisotopic mass558.252991 Da
  • ChemSpider ID4375256

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-Butyl-N-(2-{(4-fluorbenzyl)[(4-oxo-4H-chromen-3-yl)methyl]amino}-2-oxoethyl)-N-(2-methoxyethyl)benzamid [German] [ACD/IUPAC Name]
4-Butyl-N-(2-{(4-fluorobenzyl)[(4-oxo-4H-chromen-3-yl)methyl]amino}-2-oxoethyl)-N-(2-methoxyethyl)benzamide [ACD/IUPAC Name]
4-Butyl-N-(2-{(4-fluorobenzyl)[(4-oxo-4H-chromén-3-yl)méthyl]amino}-2-oxoéthyl)-N-(2-méthoxyéthyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-butyl-N-[2-[[(4-fluorophenyl)methyl][(4-oxo-4H-1-benzopyran-3-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 718.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.0±3.0 kJ/mol
Flash Point: 388.5±32.9 °C
Index of Refraction: 1.586
Molar Refractivity: 154.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 2373.94
ACD/KOC (pH 5.5): 9073.13
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2373.94
ACD/KOC (pH 7.4): 9073.13
Polar Surface Area: 76 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 459.8±3.0 cm3

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